SCHEMBL5751934

SCHEMBL5751934

O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
CNR1 P21554 3/20 0.46
UTS2R Q9UKP6 3/20 0.45
MAPK14 Q16539 3/20 0.44
CYP3A4 P08684 2/20 0.40
FFAR1 O14842 1/20 0.40
PTGER4 P35408 1/20 0.39
PTGER2 P43116 1/20 0.39
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GCGR P47871 1/20 0.39
GIPR P48546 1/20 0.39
FFAR2 O15552 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5751509 0.94 UTS2R (0.50) CNR2PPARGPPARACNR1UTS2R
SCHEMBL5752196 0.91 MAPK14 (0.55) CNR2PPARGPPARACNR1MAPK14
SCHEMBL5751037 0.91 UTS2R (0.47) CNR2PPARGPPARACNR1UTS2R
SCHEMBL5752379 0.89 ALDH1A1 (0.48) CNR2PPARGPPARAUTS2RCYP3A4
SCHEMBL5751409 0.89 ALDH1A1 (0.48) CNR2PPARGPPARAUTS2RCYP3A4
SCHEMBL5753512 0.88 NOS2 (0.47) CNR2PPARGPPARACNR1UTS2R
SCHEMBL5753521 0.88 NOS2 (0.47) CNR2PPARGPPARACNR1UTS2R
SCHEMBL5750953 0.87 ALDH1A1 (0.52) SLC6A9SLC6A5ALDH1A1LMNA
SCHEMBL5753937 0.86 UTS2R (0.43) CNR2PPARGPPARACNR1UTS2R
SCHEMBL5753931 0.86 UTS2R (0.43) CNR2PPARGPPARACNR1UTS2R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP CNR2 485/4885PPARG 905/4885PPARA 708/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.